S-[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate Openeye Name: S-[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[5-[[(4-methylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[5-(p-toluoylamino)-1,3,4-thiadiazol-2-yl] ester Formula: C18H15N3O2S2 MolecularWeight: 369.4606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H15N3O2S2/c1-11-3-7-13(8-4-11)15(22)19-17-20-21-18(25-17)24-16(23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20,22)